Geometry & MOs

Info

ID:	223735
PubChem CID:	85335497
Reduced:	OCl2N3C30H33 (1)
Stoich.:	AB2C3D30E33 (1)
Weight, g/mol:	522.184938
ΔH_f, kcal/mol:	1.88
Dipole, Da:	1.43
IP(EA), eV:	-8.94(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[3-fluoro-4-[4-[3-(1H-indol-3-yl)prop-2-enoyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylthiourea

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)C2CC(CCC2=O)(CCN3CCC(CC3)C4=CC=NC=C4)C5=CC(=C(C=C5)Cl)Cl

DOS

IR

Vibrations